title: Contribution made by multivariate curve resolution applied to gel permeation chromatography-Fourier transform infrared data for an in-depth characterization of styrene-butadiene rubber blends.
abstract: We evaluate the contribution made by multivariate curve resolution-alternating least squares (MCR-ALS) for resolving gel permeation chromatography-Fourier transform infrared (GPC-FT-IR) data collected on butadiene rubber (BR) and styrene butadiene rubber (SBR) blends in order to access in-depth knowledge of polymers along the molecular weight distribution (MWD). In the BR-SBR case, individual polymers differ in chemical composition but share almost the same MWD. Principal component analysis (PCA) gives a general overview of the data structure and attests to the feasibility of modeling blends as a binary system. MCR-ALS is then performed. It allows resolving the chromatographic coelution and validates the chosen methodology. For SBR-SBR blends, the problem is more challenging since the individual elastomers present the same chemical composition. Rank deficiency is detected from the PCA data structure analysis. MCR-ALS is thus performed on column-wise augmented matrices. It brings very useful insight into the composition of the analyzed blends. In particular, a weak change in the composition of individual SBR in the MWD's lowest mass region is revealed.
authors.affiliation: Laboratoire de Spectrochimie Infrarouge et Raman, UMR CNRS 8516, Université des Sciences et Technologies de Lille, bât C5, 59655 Villeneuve d'Ascq, France. cyril.ruckebusch@univ-lille1.fr
authors.forename: C
authors.initials: C
authors.lastname: Ruckebusch
authors.forename: F
authors.initials: F
authors.lastname: Vilmin
authors.forename: N
authors.initials: N
authors.lastname: Coste
authors.forename: J P
authors.initials: JP
authors.lastname: Huvenne
mesh_terms: D000465:Algorithms; D002070:Butadienes / Q000737:chemistry*; D002850:Chromatography, Gel / Q000379:methods*; D003627:Data Interpretation, Statistical; D020724:Elastomers / Q000737:chemistry*; D015999:Multivariate Analysis; D010539:Permeability; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013343:Styrenes / Q000737:chemistry*
chemical_list: D002070:Butadienes; D020724:Elastomers; D013343:Styrenes; C065815:styrene-butadiene rubber